关键词: 石墨晶片;Pyrene分子;电导;电流分布

Abstract: The electronic conductance and the current distributions of the pyrene molecule is investigated theoretically by using the quantum theory, in which the tight-binding method based on Green's function and the hoping at the interface is adopted. The theoretical results show that the electron conductance spectrum depends on the electronic energy, the conductance currents have the definite direction and agree well with Kirchhoff quantum current conservation. In addition, the plus-minus energy switching function of the pyrene molecular bridge is found.

Key words: The electronic conductance and the current distributions of the pyrene molecule is investigated theoretically by using the quantum theory, in which the tight-binding method based on Green's function and the hoping at the interface is adopted. The theoretical results show that the electron conductance spectrum depends on the electronic energy, the conductance currents have the definite direction and agree well with Kirchhoff quantum current conservation. In addition, the plus-minus energy switching function of the pyrene molecular bridge is found.